methyl 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-purin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-purin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-purine-2-carbonyl]amino]propanoate CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-2-purinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methylpurine-2-carbonyl]amino]propanoate Traditional Name: 3-[[8-(4-amidinophenyl)-6-(dimethylamino)-9-methyl-purine-2-carbonyl]amino]propionic acid methyl ester Formula: C20H24N8O3 MolecularWeight: 424.45636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C(=O)NCCC(=O)OC)N(C)C)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C(=O)NCCC(=O)OC)N(C)C)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H24N8O3/c1-27(2)18-14-19(26-16(25-18)20(30)23-10-9-13(29)31-4)28(3)17(24-14)12-7-5-11(6-8-12)15(21)22/h5-8H,9-10H2,1-4H3,(H3,21,22)(H,23,30)